COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620761
Chemical Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/C2=O)C

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Molecular Weight: 482.37
Empirical Formula: C25H24BrNO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.681
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 66
Number of rings: 5

     

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